2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

C134H224O28 — CID 157481489

About 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (PubChem CID 157481489) has the molecular formula C134H224O28 and a molecular weight of 2283.24 g/mol. Its IUPAC name is 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
• PubChem CID: 157481489
• Molecular Formula: C134H224O28
• Molecular Weight: 2283.24 g/mol
• Exact Mass: 2281.61
• IUPAC Name: 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC1(C)CC(C)(C2CCCC2=O)OC1=O.CCC1(C)CC2(CCOC2=O)OC1=O.CCC1(C)CCOC1=O
• InChI: InChI=1S/C20H34O2.2C19H32O2.C14H26O2.C13H20O3.C12H22O2.C10H16O5.C10H14O4.C10H16O4.C7H12O2/c1-6-18(3,4)17(21)22-19(5,7-2)20-11-14-8-15(12-20)10-16(9-14)13-20;2*1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-4-12(2)8-13(3,16-11(12)15)9-6-5-7-10(9)14;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-3-9(2)6-10(14-7(9)11)4-5-13-8(10)12;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;1-3-7(2)4-5-9-6(7)8/h14-16H,6-13H2,1-5H3;2*13-15H,6-12H2,1-5H3;11H,6-10H2,1-5H3;9H,4-8H2,1-3H3;5-9H2,1-4H3;7H,4-6H2,1-3H3;3-6H2,1-2H3;7H,4-6H2,1-3H3;3-5H2,1-2H3
• InChIKey: BWFDZIGBDCFXAS-UHFFFAOYSA-N
• XLogP: 30.15
• TPSA: 368.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.24
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The IUPAC name of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (CID 157481489) is 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.

What is the SMILES notation for 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The canonical SMILES for 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC1(C)CC(C)(C2CCCC2=O)OC1=O.CCC1(C)CC2(CCOC2=O)OC1=O.CCC1(C)CCOC1=O.

What is the InChIKey of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The InChIKey is BWFDZIGBDCFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2.2C19H32O2.C14H26O2.C13H20O3.C12H22O2.C10H16O5.C10H14O4.C10H16O4.C7H12O2/c1-6-18(3,4)17(21)22-19(5,7-2)20-11-14-8-15(12-20)10-16(9-14)13-20;2*1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-4-12(2)8-13(3,16-11(12)15)9-6-5-7-10(9)14;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-3-9(2)6-10(14-7(9)11)4-5-13-8(10)12;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;1-3-7(2)4-5-9-6(7)8/h14-16H,6-13H2,1-5H3;2*13-15H,6-12H2,1-5H3;11H,6-10H2,1-5H3;9H,4-8H2,1-3H3;5-9H2,1-4H3;7H,4-6H2,1-3H3;3-6H2,1-2H3;7H,4-6H2,1-3H3;3-5H2,1-2H3.

What are the key properties of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate has a molecular weight of 2283.24 g/mol, XLogP of 30.15, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);3-ethyl-3,5-dimethyl-5-(2-oxocyclopentyl)oxolan-2-one;3-ethyl-3-methyl-1,7-dioxaspiro[4.4]nonane-2,6-dione;3-ethyl-3-methyloxolan-2-one;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 157481489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).